4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide

C16H19NO4S2 — CID 169372431

IUPAC4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C(C)C)c2)cc1
InChIInChI=1S/C16H19NO4S2/c1-12(2)22(18,19)16-6-4-5-14(11-16)17-23(20,21)15-9-7-13(3)8-10-15/h4-12,17H,1-3H3
InChIKeyNWMAXEZCDZKKNU-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.98
Rot. Bonds5

About 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide

4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 169372431) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
PubChem CID169372431
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C(C)C)c2)cc1
InChIInChI=1S/C16H19NO4S2/c1-12(2)22(18,19)16-6-4-5-14(11-16)17-23(20,21)15-9-7-13(3)8-10-15/h4-12,17H,1-3H3
InChIKeyNWMAXEZCDZKKNU-UHFFFAOYSA-N
XLogP2.98
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
N-(3-fluorophenyl)-4-[4-(4-methylphenyl)sulfonylphenyl]benzenesulfonamide
CID 25037271
4-methyl-N-(3-pyridin-4-ylphenyl)benzenesulfonamide
CID 169371905
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
4-methyl-N-(3-phenoxyphenyl)benzenesulfonamide
CID 169370090
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112985985
4-[(2S)-butan-2-yl]-N-(3-methylphenyl)benzenesulfonamide
CID 26012625
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
3-[(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 29047104
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
N-[3-(2-amino-1-hydroxyethyl)phenyl]-4-methylbenzenesulfonamide
CID 25046021

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide (CID 169372431) is 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)C(C)C)c2)cc1.
What is the InChIKey of 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is NWMAXEZCDZKKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-12(2)22(18,19)16-6-4-5-14(11-16)17-23(20,21)15-9-7-13(3)8-10-15/h4-12,17H,1-3H3.
What are the key properties of 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide?
4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-propan-2-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 169372431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).